SCHEMBL23615822

SCHEMBL23615822

C=CCCCOCC(O)CN(C)CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
TOP1 P11387 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
PLA2G2C Q5R387 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CASR P41180 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12760982 0.86 USP2 (0.50) USP2TOP1SPHK1PLA2G2CHTT
SCHEMBL31314692 0.83 USP2 (0.59) USP2SPHK1PLA2G2CHTTCYP3A4
SCHEMBL21273249 0.83 USP2 (0.59) USP2SPHK1PLA2G2CHTTCYP3A4
SCHEMBL15381387 0.83 USP2 (0.41) USP2TOP1SPHK1HTTLMNA
SCHEMBL19546179 0.83 USP2 (0.38) USP2TOP1SPHK1HTT
SCHEMBL23615811 0.81 LMNA (0.39) USP2SPHK1PLA2G2CLMNACYP3A4
SCHEMBL15134188 0.80 USP2 (0.38) USP2TOP1SPHK1HTT
SCHEMBL17880770 0.78 USP2 (0.36) USP2TOP1SPHK1HTTCASR
SCHEMBL15134182 0.78 USP2 (0.36) USP2TOP1SPHK1HTTCASR
SCHEMBL23615808 0.78 LMNA (0.34) USP2SPHK1PLA2G2CLMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448974-B1 DETERGENT COMPOSITION COMPRISING A CARBINOL FUNCTIONAL TRISILOXANE DOW SILICONES CORP (US) 2021-07-07 EP disclosed